(E)-4-(1-benzothiophen-2-yl)-4-[2-ethoxy-3,5-di(propan-2-yl)phenyl]but-2-enoic acid

Systemtic Name: (E)-4-(1-benzothiophen-2-yl)-4-[2-ethoxy-3,5-di(propan-2-yl)phenyl]but-2-enoic acid Openeye Name: (E)-4-(benzothiophen-2-yl)-4-(2-ethoxy-3,5-diisopropyl-phenyl)but-2-enoic acid CAS Name: (E)-4-(1-benzothiophen-2-yl)-4-[2-ethoxy-3,5-di(propan-2-yl)phenyl]-2-butenoic acid IUPAC Name: (E)-4-(1-benzothiophen-2-yl)-4-[2-ethoxy-3,5-di(propan-2-yl)phenyl]but-2-enoic acid Traditional Name: (E)-4-(benzothiophen-2-yl)-4-(2-ethoxy-3,5-diisopropyl-phenyl)but-2-enoic acid Formula: C26H30O3S MolecularWeight: 422.5796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1C(C)C)C(C)C)C(C=CC(=O)O)C2=CC3=CC=CC=C3S2

Isomeric SMILES

CCOC1=C(C=C(C=C1C(C)C)C(C)C)C(/C=C/C(=O)O)C2=CC3=CC=CC=C3S2

InChI

InChI=1S/C26H30O3S/c1-6-29-26-21(17(4)5)13-19(16(2)3)14-22(26)20(11-12-25(27)28)24-15-18-9-7-8-10-23(18)30-24/h7-17,20H,6H2,1-5H3,(H,27,28)/b12-11+